N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine

C14H22N2 — CID 28646604

IUPACN-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
SMILESC[C@H](NC1CCCCCC1)c1cccnc1
InChIInChI=1S/C14H22N2/c1-12(13-7-6-10-15-11-13)16-14-8-4-2-3-5-9-14/h6-7,10-12,14,16H,2-5,8-9H2,1H3/t12-/m0/s1
InChIKeyCBZWWBCGHSGXNR-LBPRGKRZSA-N
MW218.34 g/mol
LogP3.45
Rot. Bonds3

About N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine

N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine (PubChem CID 28646604) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
PubChem CID28646604
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
SMILESC[C@H](NC1CCCCCC1)c1cccnc1
InChIInChI=1S/C14H22N2/c1-12(13-7-6-10-15-11-13)16-14-8-4-2-3-5-9-14/h6-7,10-12,14,16H,2-5,8-9H2,1H3/t12-/m0/s1
InChIKeyCBZWWBCGHSGXNR-LBPRGKRZSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81407407
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
CID 81407640
N-(1-pyridin-3-ylethyl)spiro[4.5]decan-8-amine
CID 114817153
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine
CID 65087116
1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 28716728
1,1-dioxo-N-[(1R)-1-pyridin-3-ylethyl]thian-4-amine
CID 81404409
2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
CID 81404938
1,1-dioxo-N-[(1S)-1-pyridin-3-ylethyl]thian-4-amine
CID 81406804
3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine
CID 81406551

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine?
The IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine (CID 28646604) is N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine.
What is the SMILES notation for N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine?
The canonical SMILES for N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine is C[C@H](NC1CCCCCC1)c1cccnc1.
What is the InChIKey of N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine?
The InChIKey is CBZWWBCGHSGXNR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(13-7-6-10-15-11-13)16-14-8-4-2-3-5-9-14/h6-7,10-12,14,16H,2-5,8-9H2,1H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine?
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine has a molecular weight of 218.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine is sourced from PubChem (CID 28646604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).